SCHEMBL29845031

SCHEMBL29845031

CCc1c(-c2ccnc(C)c2)[nH]c2ccc(OCC3CCN(C)CC3)cc12

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 20/20 0.71
▸ TLR8 Q9NR97 20/20 0.71
▸ TLR7 Q9NYK1 20/20 0.71

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21062190 1.00 TLR9 (0.71) TLR9TLR8TLR7
SCHEMBL21062564 0.89 TLR9 (0.72) TLR9TLR8TLR7
SCHEMBL29844820 0.89 TLR9 (0.72) TLR9TLR8TLR7
SCHEMBL23066330 0.88 TLR8 (0.70) TLR9TLR8TLR7
SCHEMBL29844808 0.88 TLR8 (0.70) TLR9TLR8TLR7
SCHEMBL21062319 0.86 TLR8 (0.68) TLR9TLR8TLR7
SCHEMBL29844830 0.86 TLR8 (0.68) TLR9TLR8TLR7
SCHEMBL19952224 0.83 TLR9 (1.00) TLR9TLR8TLR7
SCHEMBL29584931 0.83 TLR9 (1.00) TLR9TLR8TLR7
SCHEMBL21062353 0.82 TLR9 (0.59) TLR9TLR8TLR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111527080-B Substituted indole ether compounds 百时美施贵宝公司 2023-09-22 — — CN claimed
EP-3724183-B1 SUBSTITUTED INDOLE ETHER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-08-17 — — EP claimed
CN-111527080-B Substituted indole ether compounds 百时美施贵宝公司 2023-09-22 — — CN disclosed
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